CID 16770959

330985-26-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)C(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C10H17NO3/c1-7(2)9(12)11-5-3-8(4-6-11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)

InChIKey

BNSWWHNOGGYQAN-UHFFFAOYSA-N

Compound name

1-(2-methylpropanoyl)piperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 199.12085 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	200.128126	145.3
[M+Na]+	222.110068	149.6
[M-H]-	198.113574	145.3
[M+NH4]+	217.154673	162.2
[M+K]+	238.084008	148.9
[M+H-H2O]+	182.118110	139.2
[M+HCOO]-	244.119051	160.5
[M+CH3COO]-	258.134701	183.0
[M+Na-2H]-	220.095516	145.3
[M]+	199.12030142	141.3
[M]-	199.12139858	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe